1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol

C12H12N4O2S — CID 81444859

IUPAC1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2coc(-c3cccs3)n2)nn1
InChIInChI=1S/C12H12N4O2S/c1-8(17)10-6-16(15-14-10)5-9-7-18-12(13-9)11-3-2-4-19-11/h2-4,6-8,17H,5H2,1H3
InChIKeyBYJHUFRWCMJGRV-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.10
Rot. Bonds4

About 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol

1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol (PubChem CID 81444859) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol
PubChem CID81444859
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2coc(-c3cccs3)n2)nn1
InChIInChI=1S/C12H12N4O2S/c1-8(17)10-6-16(15-14-10)5-9-7-18-12(13-9)11-3-2-4-19-11/h2-4,6-8,17H,5H2,1H3
InChIKeyBYJHUFRWCMJGRV-UHFFFAOYSA-N
XLogP2.10
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol (CID 81444859) is 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol is CC(O)c1cn(Cc2coc(-c3cccs3)n2)nn1.
What is the InChIKey of 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is BYJHUFRWCMJGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-8(17)10-6-16(15-14-10)5-9-7-18-12(13-9)11-3-2-4-19-11/h2-4,6-8,17H,5H2,1H3.
What are the key properties of 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol?
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 276.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 81444859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).